1,4-Anhydro-5-(benzoylamino)-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-D-arabinitol

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Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-5-(Benzamidomethyl)-4-hydroxyoxolan-3-yl]amino]methyl]benzoic acid

ID: Reference12005

Other Names: D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-;
NAT19-551425

Formula: C20H22N2O5

Spectral Data

1,4-Anhydro-5-(benzoylamino)-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-D-arabinitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2340
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/28/2022 4:57:32 PM
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Identificators

InChI InChI=1S/C20H22N2O5/c23-18-16(21-10-13-6-8-15(9-7-13)20(25)26)12-27-17(18)11-22-19(24)14-4-2-1-3-5-14/h1-9,16-18,21,23H,10-12H2,(H,22,24)(H,25,26)/t16-,17-,18+/m1/s1
InChI Key KPGOLUCKWXKVAW-KURKYZTESA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=CC=C2)O)NCC3=CC=C(C=C3)C(=O)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-;
NAT19-551425

In Other Databases

ChemSpider 29858526
PubChem 75536625